Electronic transport through single conjugated molecules
作者： H.B Weber , J Reichert , F Weigend , R Ochs , D Beckmann
DOI: 10.1016/S0301-0104(02)00343-9
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摘要: Abstract We investigate electronic transport through single conjugated molecules, and compare our data to results of quantum chemical calculations. Conductance spectra two types molecules are studied in a metal–molecule–metal junction established using the mechanically controlled break-junction technique. observe suppressed conductance at low bias, characteristic step-like features higher voltages, strong sample-to-sample fluctuations. develop quantum-chemical model for system DFT calculations, with electrodes modelled by small clusters. consider effects different geometries molecule–metal configurations bonding as well finite electric field, thereby able account phenomenology experimental data.
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